AMBER Archive (2008)

Subject: AMBER: PB Bomb in pb_atmlist(): maxnba too short

From: Eddie Mende (pckboy_at_gmail.com)
Date: Fri Feb 08 2008 - 07:22:07 CST


I have this error output
 
PB Bomb in pb_atmlist(): maxnba too short

any idea what is going on?

Eduardo

here is the input file

MD equilibration from t0 to 10 K
&cntrl
imin=0, irest=0,
nstlim=1000,dt=0.001, ntc=1,
ntpr=50, ntwx=50, ntwv=50,
cut=20, ntb=0, igb=10,
ntt=3, gamma_ln=0.0,
tempi=0.0, temp0=50,
ifqnt=1
/
&qmmm
qmmask=':14,15,16',
qmcharge=-3,
qmtheory=3,
qmcut=15.0,
WRITEPDB=1,
PRINTCHARGES=1,
/

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